1-(4-azidobut-1-enyl)-2-methoxynaphthalene

C15H15N3O — CID 170486044

IUPAC1-(4-azidobut-1-enyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1C=CCCN=[N+]=[N-]
InChIInChI=1S/C15H15N3O/c1-19-15-10-9-12-6-2-3-7-13(12)14(15)8-4-5-11-17-18-16/h2-4,6-10H,5,11H2,1H3
InChIKeyBOUHOVHXAFCLBD-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-azidobut-1-enyl)-2-methoxynaphthalene

1-(4-azidobut-1-enyl)-2-methoxynaphthalene (PubChem CID 170486044) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-azidobut-1-enyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(4-azidobut-1-enyl)-2-methoxynaphthalene
PubChem CID170486044
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-(4-azidobut-1-enyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1C=CCCN=[N+]=[N-]
InChIInChI=1S/C15H15N3O/c1-19-15-10-9-12-6-2-3-7-13(12)14(15)8-4-5-11-17-18-16/h2-4,6-10H,5,11H2,1H3
InChIKeyBOUHOVHXAFCLBD-UHFFFAOYSA-N
XLogP4.56
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-azidobut-1-enyl)-2-methoxynaphthalene?
The IUPAC name of 1-(4-azidobut-1-enyl)-2-methoxynaphthalene (CID 170486044) is 1-(4-azidobut-1-enyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(4-azidobut-1-enyl)-2-methoxynaphthalene?
The canonical SMILES for 1-(4-azidobut-1-enyl)-2-methoxynaphthalene is COc1ccc2ccccc2c1C=CCCN=[N+]=[N-].
What is the InChIKey of 1-(4-azidobut-1-enyl)-2-methoxynaphthalene?
The InChIKey is BOUHOVHXAFCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-15-10-9-12-6-2-3-7-13(12)14(15)8-4-5-11-17-18-16/h2-4,6-10H,5,11H2,1H3.
What are the key properties of 1-(4-azidobut-1-enyl)-2-methoxynaphthalene?
1-(4-azidobut-1-enyl)-2-methoxynaphthalene has a molecular weight of 253.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidobut-1-enyl)-2-methoxynaphthalene is sourced from PubChem (CID 170486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).